General Information of the Compound
| Compound ID |
CP0900717
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(oxetan-3-ylamino)cyclopentanecarboxamide trifluoroacetate salt
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| Structure |
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| Formula |
C23H27F9N2O4
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| Molecular Weight |
566.461
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| Canonical SMILES |
CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H26F6N2O2.C2HF3O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27;3-2(4,5)1(6)7/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30);(H,6,7)/t16-,19+;/m1./s1
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| InChIKey |
RAAAWKNIGOGHTK-VWJDFLIZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound